SCHEMBL21533988

SCHEMBL21533988

CC(C)(C)c1cc(CC(C)(C)c2ccc(F)c(OCC3COC3)c2)c(F)c(OCCN2CCOCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ FGFR2 P21802 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ POLB P06746 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20347952 0.79 KDM4E (0.55) EPHX2KDM4ETSHRMAPK14POLB
SCHEMBL21325261 0.79 KDM4E (0.50) KDM4EPOLB
SCHEMBL20207512 0.75 CNR2 (0.38) TSHRCNR2
SCHEMBL22751234 0.71 KDM4E (0.41) KDM4ECNR2
SCHEMBL22548331 0.70 HTR2C (0.36) —
SCHEMBL20351583 0.69 SCN9A (0.34) —
SCHEMBL20204603 0.69 KDM4E (0.71) KDM4E
SCHEMBL21325101 0.69 GRM2 (0.44) CNR2
SCHEMBL14200213 0.68 KDM4E (0.56) KDM4ETSHRMAPK14FGFR2POLB
SCHEMBL18376336 0.67 POLB (0.63) EPHX2KDM4ETSHRPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014924-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-05-25 — — US disclosed
US-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, TYMP, DPYD EPHX2 470/4885KDM4E 1424/4885TSHR 4661/4885
US-11014924-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD EPHX2 470/4885KDM4E 1424/4885TSHR 4661/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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